SCHEMBL8675172

SCHEMBL8675172

[C]#CC(C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
TAAR1 Q96RJ0 4/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
MAOA P21397 2/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
CYP2D6 P10635 2/20 0.48
SLC18A2 Q05940 1/20 0.48
TRPA1 O75762 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1A P35348 2/20 0.44
OPRK1 P41145 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6387963 0.79 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6808822 0.78 TSHR (0.44) CYP1A2TSHROPRK1
SCHEMBL10012895 0.77 MAOA (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL97558 0.77 TAAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL13593628 0.77 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1752148 0.77 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2748352 0.77 MAOB (0.56) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL834993 0.77 TAAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11231462 0.77 MAOA (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14452762 0.77 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-5753649-A Therapeutic agent for osteoporosis and diazepine compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX SIGMAR1 4414/4885TAAR1 1466/4885SLC6A2 3150/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 SIGMAR1 1841/4885TAAR1 733/4885SLC6A2 3932/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.